Solid-water interfaces play a vital role in biomaterials science because they provide a natural playground for most biochemical reactions and physiological processes. In the study, fully atomistic molecular dynamics simulations were performed to investigate interactions between water molecules and several surfaces modeling for unmodified and modified parylene C surfaces. The introduction of -OH, -CHO, and -COOH to the surface and alterations in their coverage significantly influence the energetics of interactions between water molecules and the polymer surface. The theoretical studies were complemented with experimental measurements of contact angle, surface free energy, and imaging of osteoblast cells adhesion. Both MD simulations and experiments demonstrate that the optimal interface, in terms of biocompatibility, is obtained when 60% of native -Cl groups of parylene C surface is exchanged for -OH groups. By exploring idealized models of bare and functionalized parylene C, we obtained a unique insight into molecular interactions at the water-polymer interface. The calculated values of interaction energy components (electrostatic and dispersive) correspond well with the experimentally determined values of surface free energy components (polar and dispersive), revealing their optimal ratio for cells adhesion. The results are discussed in the context of controllable tuning and functionalization of implant polymeric coating toward improved biocompatibility.

• Keywords
• biomaterials oxygen plasma, contact angle, molecular dynamics, parylene C, surface free energy,
• MeSH
• Oxygen MeSH
• Polymers chemistry   MeSH
• Surface Properties MeSH
• Molecular Dynamics Simulation MeSH
• Water MeSH
• Xylenes chemistry   MeSH
• Publication type
• Journal Article MeSH
• Names of Substances
• Oxygen MeSH
• parylene MeSH Browser
• Polymers MeSH
• Water MeSH
• Xylenes MeSH

Interactions at the solid-body fluid interfaces play a vital role in bone tissue formation at the implant surface. In this study, fully atomistic molecular dynamics (MD) simulations were performed to investigate interactions between the physiological components of body fluids (Ca2+, HPO42-, H2PO4-, Na+, Cl-, and H2O) and functionalized parylene C surface. In comparison to the native parylene C (-Cl surface groups), the introduction of -OH, -CHO, and -COOH surface groups significantly enhances the interactions between body fluid ions and the polymeric surface. The experimentally observed formation of calcium phosphate nanocrystals is discussed in terms of MD simulations of the calcium phosphate clustering. Surface functional groups promote the clustering of calcium and phosphate ions in the following order: -OH > -CHO > -Cl (parent parylene C) ≈ -COO-. This promoting role of surface functional groups is explained as stimulating the number of Ca2+ and HPO42- surface contacts as well as ion chemisorption. The molecular mechanism of calcium phosphate cluster formation at the functionalized parylene C surface is proposed.

• Keywords
• calcium phosphate, functional groups, molecular dynamics, nucleation mechanism, parylene C, polymer surface,
• Publication type
• Journal Article MeSH

Parylene-based implants or coatings introduce surfaces suffering from bacteria colonization. Here, we synthesized polyvinylpyrrolidone-stabilized selenium nanoparticles (SeNPs) as the antibacterial agent, and various approaches are studied for their reproducible adsorption, and thus the modification of parylene-C-coated glass substrate. The nanoparticle deposition process is optimized in the nanoparticle concentration to obtain evenly distributed NPs on the flat parylene-C surface. Moreover, the array of parylene-C micropillars is fabricated by the plasma etching of parylene-C on a silicon wafer, and the surface is modified with SeNPs. All designed surfaces are tested against two bacterial pathogens, Escherichia coli (Gram-negative) and Staphylococcus aureus (Gram-positive). The results show no antibacterial effect toward S. aureus, while some bacteriostatic effect is observed for E. coli on the flat and microstructured parylene. However, SeNPs did not enhance the antibacterial effect against both bacteria. Additionally, all designed surfaces show cytotoxic effects toward mesenchymal stem cells at high SeNP deposition. These results provide valuable information about the potential antibacterial treatment of widely used parylene-C in biomedicine.

• Keywords
• antimicrobial, biocompatibility, micropillars, parylene-C, selenium nanoparticles,
• Publication type
• Journal Article MeSH

Non-sustainable single-use plastics used for food packaging needs to be phased out. Films made from cellulose nanofibrils (CNFs) are suitable candidates for biodegradable and recyclable packaging materials as they exhibit good mechanical properties, excellent oxygen barrier properties and high transparency. Yet, their poor water vapour barrier properties have been a major hindrance in their commercialisation. Here, we describe the preparation of 25 μm thick CNF films with significantly improved water vapour barrier properties after deposition of ultrathin polymeric and metallic coatings, parylene C and aluminium, respectively. When first adding a 40 nm aluminium layer followed by an 80 nm parylene layer, i.e. with a combined thickness of less than one percent of the CNF film, a water vapour transmission rate of 2.8 g m-2 d-1 was achieved at 38 °C and 90 % RH, surpassing a 25 μm polypropylene film (4-12 g m-2 d-1). This is an improvement of more than 700 times compared to uncoated CNF films, under some of the harshest possible conditions a packaging material will need to endure in commercial use. The layers showed a good and even coverage, as assessed by atomic force microscopy, and the parylene-coated surfaces were hydrophobic with a contact angle of 110°, providing good water repellency.

• Keywords
• Aluminium, Cellulose nanofibrils, Coatings, Parylene, Vapour deposition, Water vapour barrier,
• Publication type
• Journal Article MeSH

We present the manufacturing process of a (24.5 × 100) μm2-sized on-chip flow channel intended for flow experiments with normal and superfluid phases of 4He and showcase such a proof-of-concept experiment. This work proves the suitability of chip-to-chip bonding using a thin layer of Parylene-C for cryogenic temperatures as a simpler alternative to other techniques, such as anodic bonding. A monocrystalline silicon chip embeds the etched meander-shaped micro-fluidic channel and a deposited platinum heater and is bonded to a Pyrex glass top. We test the leak tightness of the proposed bonding method for superfluid 4He, reaching temperatures of ≈1.6 K and evaluate its possible effects on flow experiments. We demonstrate that powering an on-chip platinum heater affects the superfluid flow rate by local overheating of a section of the micro-fluidic channel.

• Publication type
• Journal Article MeSH

Optically driven electronic neuromodulation devices are a novel tool in basic research and offer new prospects in medical therapeutic applications. Optimal operation of such devices requires efficient light capture and charge generation, effective electrical communication across the device's bioelectronic interface, conformal adhesion to the target tissue, and mechanical stability of the device during the lifetime of the implant-all of which can be tuned by spatial structuring of the device. We demonstrate a 3D structured opto-bioelectronic device-an organic electrolytic photocapacitor spatially designed by depositing the active device layers on an inverted micropyramid-shaped substrate. Ultrathin, transparent, and flexible micropyramid-shaped foil was fabricated by chemical vapour deposition of parylene C on silicon moulds containing arrays of inverted micropyramids, followed by a peel-off procedure. The capacitive current delivered by the devices showed a strong dependency on the underlying spatial structure. The device performance was evaluated by numerical modelling. We propose that the developed numerical model can be used as a basis for the design of future functional 3D design of opto-bioelectronic devices and electrodes.

• Keywords
• bioelectronics, micropyramids, neurostimulation, photocapacitors,
• Publication type
• Journal Article MeSH